2-(2-aminoethoxy)ethanol;3,6-dichloro-2-methoxybenzoic acid

C12H17Cl2NO5 — CID 18772449

IUPAC2-(2-aminoethoxy)ethanol;3,6-dichloro-2-methoxybenzoic acid
SMILESCOc1c(Cl)ccc(Cl)c1C(=O)O.NCCOCCO
InChIInChI=1S/C8H6Cl2O3.C4H11NO2/c1-13-7-5(10)3-2-4(9)6(7)8(11)12;5-1-3-7-4-2-6/h2-3H,1H3,(H,11,12);6H,1-5H2
InChIKeyQURLONWWPWCPIC-UHFFFAOYSA-N
MW326.18 g/mol
LogP1.65
Rot. Bonds6

About 2-(2-aminoethoxy)ethanol;3,6-dichloro-2-methoxybenzoic acid

2-(2-aminoethoxy)ethanol;3,6-dichloro-2-methoxybenzoic acid (PubChem CID 18772449) has the molecular formula C12H17Cl2NO5 and a molecular weight of 326.18 g/mol. Its IUPAC name is 2-(2-aminoethoxy)ethanol;3,6-dichloro-2-methoxybenzoic acid.

Molecular Properties

Compound Name2-(2-aminoethoxy)ethanol;3,6-dichloro-2-methoxybenzoic acid
PubChem CID18772449
Molecular FormulaC12H17Cl2NO5
Molecular Weight326.18 g/mol
Exact Mass325.05
IUPAC Name2-(2-aminoethoxy)ethanol;3,6-dichloro-2-methoxybenzoic acid
SMILESCOc1c(Cl)ccc(Cl)c1C(=O)O.NCCOCCO
InChIInChI=1S/C8H6Cl2O3.C4H11NO2/c1-13-7-5(10)3-2-4(9)6(7)8(11)12;5-1-3-7-4-2-6/h2-3H,1H3,(H,11,12);6H,1-5H2
InChIKeyQURLONWWPWCPIC-UHFFFAOYSA-N
XLogP1.65
TPSA102.01 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.18
LogP ≤ 51.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(2-aminoethoxy)ethanol;3,6-dichloro-2-methoxybenzoic acid?
The IUPAC name of 2-(2-aminoethoxy)ethanol;3,6-dichloro-2-methoxybenzoic acid (CID 18772449) is 2-(2-aminoethoxy)ethanol;3,6-dichloro-2-methoxybenzoic acid.
What is the SMILES notation for 2-(2-aminoethoxy)ethanol;3,6-dichloro-2-methoxybenzoic acid?
The canonical SMILES for 2-(2-aminoethoxy)ethanol;3,6-dichloro-2-methoxybenzoic acid is COc1c(Cl)ccc(Cl)c1C(=O)O.NCCOCCO.
What is the InChIKey of 2-(2-aminoethoxy)ethanol;3,6-dichloro-2-methoxybenzoic acid?
The InChIKey is QURLONWWPWCPIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6Cl2O3.C4H11NO2/c1-13-7-5(10)3-2-4(9)6(7)8(11)12;5-1-3-7-4-2-6/h2-3H,1H3,(H,11,12);6H,1-5H2.
What are the key properties of 2-(2-aminoethoxy)ethanol;3,6-dichloro-2-methoxybenzoic acid?
2-(2-aminoethoxy)ethanol;3,6-dichloro-2-methoxybenzoic acid has a molecular weight of 326.18 g/mol, XLogP of 1.65, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminoethoxy)ethanol;3,6-dichloro-2-methoxybenzoic acid is sourced from PubChem (CID 18772449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).